allocryptopine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 7
Total Number of Articles : 6
PubChem 98570
Molecular Formula

C21H23NO5

SMILES

CN1CCC2=CC3=C(C=C2C(=O)CC4=C(C1)C(=C(C=C4)OC)OC)OCO3

InChI

InChI=1S/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3

synonyms
  • Allocryptopine
  • 485-91-6
  • 24240-04-8
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Properties
Property Value
MW 369.4 g/mol
HBD 0
HBA 6
Rotatable Bond Count 2
Exact Mass 369.15762283 g/mol
Monoisotopic Mass 369.15762283 g/mol
Heavy Atom Count 27
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 529
xlogp 2.9
Topological Polar Surface Area 57.2